methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate

C15H18N4O3S — CID 59671484

IUPACmethyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCNCC2COc2cccnc2)n1
InChIInChI=1S/C15H18N4O3S/c1-21-14(20)13-10-23-15(18-13)19-6-5-17-7-11(19)9-22-12-3-2-4-16-8-12/h2-4,8,10-11,17H,5-7,9H2,1H3
InChIKeyGDVFTSLLBFPKMB-UHFFFAOYSA-N
MW334.40 g/mol
LogP1.18
Rot. Bonds5

About methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate

methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 59671484) has the molecular formula C15H18N4O3S and a molecular weight of 334.40 g/mol. Its IUPAC name is methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID59671484
Molecular FormulaC15H18N4O3S
Molecular Weight334.40 g/mol
Exact Mass334.11
IUPAC Namemethyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1csc(N2CCNCC2COc2cccnc2)n1
InChIInChI=1S/C15H18N4O3S/c1-21-14(20)13-10-23-15(18-13)19-6-5-17-7-11(19)9-22-12-3-2-4-16-8-12/h2-4,8,10-11,17H,5-7,9H2,1H3
InChIKeyGDVFTSLLBFPKMB-UHFFFAOYSA-N
XLogP1.18
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate (CID 59671484) is methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate is COC(=O)c1csc(N2CCNCC2COc2cccnc2)n1.
What is the InChIKey of methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is GDVFTSLLBFPKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3S/c1-21-14(20)13-10-23-15(18-13)19-6-5-17-7-11(19)9-22-12-3-2-4-16-8-12/h2-4,8,10-11,17H,5-7,9H2,1H3.
What are the key properties of methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate?
methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 334.40 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 59671484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).